2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol

C16H13FN2O2 — CID 89465998

IUPAC2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol
SMILESOC(Cc1cc(-c2ccc(F)cc2)no1)c1ccncc1
InChIInChI=1S/C16H13FN2O2/c17-13-3-1-11(2-4-13)15-9-14(21-19-15)10-16(20)12-5-7-18-8-6-12/h1-9,16,20H,10H2
InChIKeyNAGPXWNOTROWJL-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.15
Rot. Bonds4

About 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol

2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol (PubChem CID 89465998) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol
PubChem CID89465998
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol
SMILESOC(Cc1cc(-c2ccc(F)cc2)no1)c1ccncc1
InChIInChI=1S/C16H13FN2O2/c17-13-3-1-11(2-4-13)15-9-14(21-19-15)10-16(20)12-5-7-18-8-6-12/h1-9,16,20H,10H2
InChIKeyNAGPXWNOTROWJL-UHFFFAOYSA-N
XLogP3.15
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanol
CID 22064141
1-(4-fluorophenyl)-2-(4-pyridin-4-ylphenyl)ethanol
CID 67902820
1-(4-fluorophenyl)-2-pyridin-4-ylethanol
CID 62553094
2-(2-chloro-5-fluorophenyl)-1-pyridin-4-ylethanol
CID 102617218
4-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]phenol
CID 135604711
3-(4-fluorophenyl)-5-[(5-pyrimidin-4-yltetrazol-2-yl)methyl]-1,2-oxazole
CID 154849324
1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol
CID 81410736
2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one
CID 134113416
(2R)-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-imidazol-1-ylpropan-2-amine
CID 95218898
2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethanol
CID 103047540
1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]ethanamine
CID 114420287
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanol
CID 112641839

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol?
The IUPAC name of 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol (CID 89465998) is 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol is OC(Cc1cc(-c2ccc(F)cc2)no1)c1ccncc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol?
The InChIKey is NAGPXWNOTROWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-13-3-1-11(2-4-13)15-9-14(21-19-15)10-16(20)12-5-7-18-8-6-12/h1-9,16,20H,10H2.
What are the key properties of 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol?
2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol has a molecular weight of 284.29 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol is sourced from PubChem (CID 89465998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).